N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-4-oxochromene-2-carboxamide

C19H15N3O3S — CID 71797415

IUPACN-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-4-oxochromene-2-carboxamide
SMILESCn1nc(CNC(=O)c2cc(=O)c3ccccc3o2)cc1-c1cccs1
InChIInChI=1S/C19H15N3O3S/c1-22-14(18-7-4-8-26-18)9-12(21-22)11-20-19(24)17-10-15(23)13-5-2-3-6-16(13)25-17/h2-10H,11H2,1H3,(H,20,24)
InChIKeyQMRVDZMPJJLTSR-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.18
Rot. Bonds4

About N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-4-oxochromene-2-carboxamide

N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-4-oxochromene-2-carboxamide (PubChem CID 71797415) has the molecular formula C19H15N3O3S and a molecular weight of 365.41 g/mol. Its IUPAC name is N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-4-oxochromene-2-carboxamide
PubChem CID71797415
Molecular FormulaC19H15N3O3S
Molecular Weight365.41 g/mol
Exact Mass365.08
IUPAC NameN-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-4-oxochromene-2-carboxamide
SMILESCn1nc(CNC(=O)c2cc(=O)c3ccccc3o2)cc1-c1cccs1
InChIInChI=1S/C19H15N3O3S/c1-22-14(18-7-4-8-26-18)9-12(21-22)11-20-19(24)17-10-15(23)13-5-2-3-6-16(13)25-17/h2-10H,11H2,1H3,(H,20,24)
InChIKeyQMRVDZMPJJLTSR-UHFFFAOYSA-N
XLogP3.18
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-4-oxochromene-2-carboxamide (CID 71797415) is N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-4-oxochromene-2-carboxamide is Cn1nc(CNC(=O)c2cc(=O)c3ccccc3o2)cc1-c1cccs1.
What is the InChIKey of N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-4-oxochromene-2-carboxamide?
The InChIKey is QMRVDZMPJJLTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3S/c1-22-14(18-7-4-8-26-18)9-12(21-22)11-20-19(24)17-10-15(23)13-5-2-3-6-16(13)25-17/h2-10H,11H2,1H3,(H,20,24).
What are the key properties of N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-4-oxochromene-2-carboxamide?
N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-4-oxochromene-2-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 71797415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).